2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane

C11H19IO2 — CID 130582587

IUPAC2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane
SMILESCC1CC2(CCC(CI)O2)CC(C)O1
InChIInChI=1S/C11H19IO2/c1-8-5-11(6-9(2)13-8)4-3-10(7-12)14-11/h8-10H,3-7H2,1-2H3
InChIKeyHFMWAATWFNGSRX-UHFFFAOYSA-N
MW310.18 g/mol
LogP2.93
Rot. Bonds1

About 2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane

2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane (PubChem CID 130582587) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane
PubChem CID130582587
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Name2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane
SMILESCC1CC2(CCC(CI)O2)CC(C)O1
InChIInChI=1S/C11H19IO2/c1-8-5-11(6-9(2)13-8)4-3-10(7-12)14-11/h8-10H,3-7H2,1-2H3
InChIKeyHFMWAATWFNGSRX-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
CID 130582607
(8-methyl-1,7-dioxaspiro[4.4]nonan-2-yl)methanol
CID 131249079
(2R)-2,9-bis(iodomethyl)-1,10-dioxaspiro[4.5]decane
CID 135041897
N-[(2-methyl-5-oxaspiro[3.4]octan-6-yl)methyl]propan-2-amine
CID 130584015
5-(iodomethyl)-2-methyl-2-(2-methylpropyl)oxolane
CID 130582685
7-(iodomethyl)-11-methoxy-6-oxadispiro[3.0.45.24]undecane
CID 130655634
2-cyclopropyl-6-(iodomethyl)-2-methyloxane
CID 130582963
2-(azidomethyl)-7-methyl-1-oxaspiro[4.5]decane
CID 165438047
2-methyl-1,7-dioxaspiro[3.4]octane
CID 177019772
2-ethyl-5-(iodomethyl)oxolane
CID 130582736
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane?
The IUPAC name of 2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane (CID 130582587) is 2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane.
What is the SMILES notation for 2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane?
The canonical SMILES for 2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane is CC1CC2(CCC(CI)O2)CC(C)O1.
What is the InChIKey of 2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane?
The InChIKey is HFMWAATWFNGSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IO2/c1-8-5-11(6-9(2)13-8)4-3-10(7-12)14-11/h8-10H,3-7H2,1-2H3.
What are the key properties of 2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane?
2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane has a molecular weight of 310.18 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-7,9-dimethyl-1,8-dioxaspiro[4.5]decane is sourced from PubChem (CID 130582587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).